SCHEMBL2096223

SCHEMBL2096223

COCC(=O)N(c1ccc(CF)cc1)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.41
▸ TACR1 P25103 4/20 0.40
▸ MLYCD O95822 1/20 0.39
▸ SIGMAR1 Q99720 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MITF O75030 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ SLC6A4 P31645 2/20 0.37
▸ CHRM3 P20309 3/20 0.37
▸ SLC22A1 O15245 1/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ CHRM1 P11229 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2094200 0.93 MEN1 (0.48) OPRM1TACR1MLYCDKDM4EMEN1
SCHEMBL2096218 0.85 TACR1 (0.40) OPRM1TACR1MLYCDSIGMAR1KDM4E
SCHEMBL2097750 0.81 MEN1 (0.42) OPRM1TACR1MLYCDSIGMAR1KDM4E
SCHEMBL2097748 0.81 MEN1 (0.42) OPRM1TACR1MLYCDSIGMAR1KDM4E
SCHEMBL2096220 0.81 TRPM8 (0.38) OPRM1SIGMAR1KDM4EMEN1NPC1
SCHEMBL6003176 0.81 MEN1 (0.47) OPRM1TACR1MLYCDSIGMAR1KDM4E
SCHEMBL2094195 0.79 MEN1 (0.48) TACR1MLYCDKDM4EMEN1NPC1
SCHEMBL2094198 0.75 TRPM8 (0.46) MLYCDKDM4EMEN1NPC1MITF
SCHEMBL2094924 0.75 MEN1 (0.52) OPRM1TACR1MLYCDSIGMAR1KDM4E
SCHEMBL2094921 0.75 MEN1 (0.52) OPRM1TACR1MLYCDSIGMAR1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 — — US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 — — EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 — — US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 — — EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 OPRM1 950/4885TACR1 610/4885MLYCD 1598/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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